(2S)-4-(3-fluorophenyl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-pyrazin-2-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: (2S)-4-(3-fluorophenyl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-pyrazin-2-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-4-(3-fluorobenzoyl)-N-[(3S)-2-oxo-3-piperidyl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-4-[(3-fluorophenyl)-oxomethyl]-N-[(3S)-2-oxo-3-piperidinyl]-1-[oxo(2-pyrazinyl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-4-(3-fluorobenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-4-(3-fluorobenzoyl)-N-[(3S)-2-keto-3-piperidyl]-1-pyrazinoyl-piperazine-2-carboxamide Formula: C22H23FN6O4 MolecularWeight: 454.454223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NC1)NC(=O)C2CN(CCN2C(=O)C3=NC=CN=C3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1C[C@@H](C(=O)NC1)NC(=O)[C@@H]2CN(CCN2C(=O)C3=NC=CN=C3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H23FN6O4/c23-15-4-1-3-14(11-15)21(32)28-9-10-29(22(33)17-12-24-7-8-25-17)18(13-28)20(31)27-16-5-2-6-26-19(16)30/h1,3-4,7-8,11-12,16,18H,2,5-6,9-10,13H2,(H,26,30)(H,27,31)/t16-,18-/m0/s1